(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

C11H16N2O — CID 55266512

IUPAC(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCCn1c(C)cc(/C=C\C(N)=O)c1C
InChIInChI=1S/C11H16N2O/c1-4-13-8(2)7-10(9(13)3)5-6-11(12)14/h5-7H,4H2,1-3H3,(H2,12,14)/b6-5-
InChIKeyRTMMDLSDZYAECF-WAYWQWQTSA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds3

About (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (PubChem CID 55266512) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
PubChem CID55266512
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCCn1c(C)cc(/C=C\C(N)=O)c1C
InChIInChI=1S/C11H16N2O/c1-4-13-8(2)7-10(9(13)3)5-6-11(12)14/h5-7H,4H2,1-3H3,(H2,12,14)/b6-5-
InChIKeyRTMMDLSDZYAECF-WAYWQWQTSA-N
XLogP1.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
CID 47123773
(Z)-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enamide
CID 55268244
(3S)-1-[(E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 95567687
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
2-[(2-amino-2-oxoethyl)-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62921896
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
CID 79605008
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
ethane;1-ethyl-2,3,5-trimethylpyrrole
CID 162748917
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 100594421
3-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-phenylprop-2-enenitrile
CID 3959154
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
CID 126071933

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (CID 55266512) is (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is CCn1c(C)cc(/C=C\C(N)=O)c1C.
What is the InChIKey of (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The InChIKey is RTMMDLSDZYAECF-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-13-8(2)7-10(9(13)3)5-6-11(12)14/h5-7H,4H2,1-3H3,(H2,12,14)/b6-5-.
What are the key properties of (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
(Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 55266512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).